From the 1 of 3 linked papers with an AI index.
3 papers
No band gap, no problem: Defects in InAs using a band-avoiding occupation-constrained density functional theory
Peter A. Schultz, Arthur H. Edwards, Evan M. Anderson +2
The paper introduces a band-avoiding occupation-constrained DFT method that avoids spurious band-edge occupations, allowing accurate defect level calculations in narrow-gap semicon…
An Atomistically Informed Device Engineering (AIDE) Method Realized: A case study in GaAs
Leopoldo Diaz, Harold P. Hjalmarson, Jesse J. Lutz +1
Radiation-induced defects can have a significant impact on the longevity and performance of semiconductor devices. We present an Atomistically Informed Device Engineering (AIDE) me…
The case of the missing gallium vacancy in gallium arsenide: A multiscale explanation
Leopoldo Diaz, Harold P. Hjalmarson, Jesse J. Lutz +1
Irradiation of gallium arsenide (GaAs) produces immobile vacancies and mobile interstitials. However, after decades of experimental investigation, the immobile Ga vacancy eludes ob…